UCSF

ZINC59211548

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2011 21 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.02 8.26 -6.74 2 3 0 52 327.255 7
Lo Low (pH 4.5-6) 6.02 8.17 -26.13 3 3 1 53 328.263 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )